Ne Pseudopotentials

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Cambridge QMC library

Neon pseudopotential files

Fig.	Description	Representation	CASINO awfn.data	Further data
1	Dirac-Fock AREP Trail & Needs summary	Tabulated	¤ 2s²2p⁶ 1S (GS) ¤ 2s²2p⁵3d¹ 3F ¤ 2s¹2p⁶3d¹ 3D	Core-Polarization
2	Dirac-Fock AREP Trail & Needs summary	GAUSSIAN CRYSTAL	-	Spin-Orbit Pseudopotential Gaussian basis (GAUSSIAN) Gaussian basis (CRYSTAL)
3	Dirac-Fock AREP Trail & Needs summary	GAMESS	-	-
4	Hartree-Fock Trail & Needs summary	Tabulated	¤ 2s²2p⁶ 1S (GS) ¤ 2s²2p⁵3d¹ 3F ¤ 2s¹2p⁶3d¹ 3D	Core-Polarization
5	Hartree-Fock Trail & Needs summary	GAUSSIAN CRYSTAL	-	-
6	Hartree-Fock Trail & Needs summary	GAMESS	-	-
7	Softer DF AREP Trail & Needs summary	Tabulated	¤ 2s²2p⁶ 1S (GS) ¤ 2s²2p⁵3d¹ 3F ¤ 2s¹2p⁶3d¹ 3D	Core-Polarization

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